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Information card for entry 1542339
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| Coordinates | 1542339.cif |
|---|---|
| Structure factors | 1542339.hkl |
| External links | PubChem |
| Formula | C340 H338 |
|---|---|
| Calculated formula | C340 H338 |
| Title of publication | Building Giant Carbocycles by Reversible C-C Bond Formation |
| Authors of publication | Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest |
| Journal of publication | Angew. Chem. Int. Ed. |
| Year of publication | 2016 |
| Journal volume | 55 |
| Pages of publication | 894 - 898 |
| a | 40.4249 ± 0.0014 Å |
| b | 19.5832 ± 0.0007 Å |
| c | 34.5941 ± 0.0012 Å |
| α | 90° |
| β | 104.404 ± 0.0018° |
| γ | 90° |
| Cell volume | 26525.6 ± 1.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.189 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542339.cif 1542339.hkl |
| 181862 | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1542339.cif 1542339.hkl |
| 175240 | 2016-01-28 | cif/ hkl/ Adding structures of 1542339 via cif-deposit CGI script. |
1542339.cif 1542339.hkl |
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Users of the data should acknowledge the original authors of the
structural data.